SCHEMBL7203152

SCHEMBL7203152

CCOC(=O)Cn1c(=O)c2c(CBr)c(-c3ccc([N+](=O)[O-])cc3)sc2n(Cc2ccccc2F)c1=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 13/20 0.48
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7206967 0.91 GNRHR (0.47) GNRHRALDH1A1RAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL7203039 0.87 GNRHR (0.62) GNRHR
SCHEMBL7841358 0.80 GNRHR (0.46) GNRHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL7597266 0.78 GNRHR (0.42) GNRHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL7595933 0.77 GNRHR (0.54) GNRHRALDH1A1KMT2A
SCHEMBL7855497 0.77 GNRHR (0.45) GNRHRALDH1A1SMN1; SMN2
SCHEMBL7593495 0.76 L3MBTL1 (0.38) GNRHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL7591161 0.76 ADORA2B (0.40) GNRHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL7591456 0.76 GNRHR (0.36) GNRHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL7593502 0.74 GNRHR (0.45) GNRHRKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808317-B1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-10 EP disclosed
US-6187788-B1 THIENO(2,3-B)(DIHYDRO)PYRIDINE DERIVATIVES; GONADOTROPIN-RELEASING HORMONE ANTAGONISTS; ANTICARCINOGENIC AGENTS; SEXUAL AND UROGENITAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
US-6180792-B1 DRUGS, ANTISECRETORY AGENTS AND HORMONE INHIBITORS FOR LH-RH TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-30 US disclosed
US-6048863-A SEXUAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-11 US disclosed
WO-1995028405-A1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed